1-(4-Methoxyphenyl)-4-phenyl-1-butanone - CAS 101594-58-5

Catalog:	BB000561
Product Name:	1-(4-Methoxyphenyl)-4-phenyl-1-butanone
CAS:	101594-58-5
Synonyms:	1-(4-methoxyphenyl)-4-phenyl-1-butanone; 1-(4-methoxyphenyl)-4-phenylbutan-1-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(4-methoxyphenyl)-4-phenylbutan-1-one
Description:	1-(4-Methoxyphenyl)-4-phenyl-1-butanone (CAS# 101594-58-5 ) is a useful research chemical.
Molecular Weight:	254.32
Molecular Formula:	C17H18O2
Canonical SMILES:	COC1=CC=C(C=C1)C(=O)CCCC2=CC=CC=C2
InChI:	InChI=1S/C17H18O2/c1-19-16-12-10-15(11-13-16)17(18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChI Key:	XBNJLAPERJEQAO-UHFFFAOYSA-N
LogP:	3.90080

Publication Number	Title	Priority Date
EP-2042494-A1	2,4,5-trisubstituted thiazole compounds,preparation methods, pharmaceutical compositions and medical uses thereof	20060627
EP-2042494-B1	2,4,5-trisubstituted thiazole compounds,preparation methods, pharmaceutical compositions and medical uses thereof	20060627
EP-2772488-A1	2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof	20060627
EP-2772488-B1	2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof	20060627
JP-2009541367-A	2,4,5-Trisubstituted thiazole compounds, pharmaceutical compositions containing them, and their preparation and medical use	20060627

PMID	Publication Date	Title	Journal
18973326	20081127	Ligand specificity of constitutive androstane receptor as probed by induced-fit docking and mutagenesis	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.130679813
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	254.130679813
Rotatable Bond Count:	6
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8